5-Fluoroorotic acid

C₅H₃FN₂O₄CAS 703-95-7174.09 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol

Properties

Molecular formula: C₅H₃FN₂O₄
Molar mass: 174.09 g/mol
Exact mass: 174.0077 Da
Melting point: 255 °C (decomposes)
logP: -0.27Crippen estimate
Polar surface area: 103.5 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 1

Identifiers

CAS number

703-95-7

SMILES

O=C(O)c1nc(O)nc(O)c1F

InChIKey

SEHFUALWMUWDKS-UHFFFAOYSA-N

InChI

InChI=1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

5-Fluoro-2,6-dihydroxypyrimidine-4-carboxylic acid
4-Pyrimidinecarboxylic acid, 5-fluoro-1,2,3,6-tetrahydro-2,6-dioxo-
Orotic acid, 5-fluoro-
5-Fluoro-1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid
Fluoroorotic acid
ENT 26398
NSC 31712
WR 152520
5-Fluoroorotate
NSC 143130

Work with 5-Fluoroorotic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Amino-1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid7164-43-460 % similar 1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid23945-44-045 % similar 2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid652-36-841 % similar Pentafluorobenzoic acid602-94-839 % similar Tetrafluorophthalic acid652-03-939 % similar Orotic acid65-86-138 % similar 2,3,5,6-Tetrafluorobenzoic acid652-18-638 % similar 2,3,6-Trifluorobenzoic acid2358-29-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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